SIMILAR PATTERNS OF AMINO ACIDS FOR 1VQ1_A_SAMA301_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aec ACTINIDIN

(Actinidia
chinensis) 		PF00112
(Peptidase_C1) 		5 ILE A 208
GLY A 157
ALA A 159
ILE A 160
THR A 205
 None
 1.44A 1vq1A-1aecA:
undetectable		 1vq1A-1aecA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1elj MALTODEXTRIN-BINDING
PROTEIN

(Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 THR A 117
ILE A 166
GLU A 199
PHE A 195
PRO A 248
 None
 1.25A 1vq1A-1eljA:
undetectable		 1vq1A-1eljA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1irx LYSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01921
(tRNA-synt_1f) 		5 PHE A  39
ILE A 273
GLY A  37
ILE A 315
VAL A 287
 None
 1.13A 1vq1A-1irxA:
undetectable		 1vq1A-1irxA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jfi TRANSCRIPTION
REGULATOR NC2 ALPHA
CHAIN
TRANSCRIPTION
REGULATOR NC2 BETA
CHAIN

(Homo sapiens;
Homo sapiens) 		PF00808
(CBFD_NFYB_HMF)
PF00808
(CBFD_NFYB_HMF) 		5 ILE A  20
ALA A  41
ILE A  38
THR B 144
VAL B 140
 None
 1.22A 1vq1A-1jfiA:
undetectable		 1vq1A-1jfiA:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o6d HYPOTHETICAL UPF0247
PROTEIN TM0844

(Thermotoga
maritima) 		PF02590
(SPOUT_MTase) 		5 THR A 129
GLY A 101
ILE A  99
THR A  53
GLU A 107
 None
 1.14A 1vq1A-1o6dA:
undetectable		 1vq1A-1o6dA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		5 THR B 225
GLY B 196
THR B 215
PRO B 218
ALA B 234
 None
 1.41A 1vq1A-1poiB:
undetectable		 1vq1A-1poiB:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgd PROTEIN
(TRANSKETOLASE)

(Escherichia
coli) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 THR A 132
GLY A 377
ILE A 396
GLU A 411
ALA A 418
 None
 1.41A 1vq1A-1qgdA:
4.1		 1vq1A-1qgdA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r5l PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)

(Homo sapiens) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		5 ILE A 218
ALA A 176
ILE A 179
THR A 215
GLU A 220
 None
None
VIV  A 301 ( 4.0A)
None
None
 1.29A 1vq1A-1r5lA:
undetectable		 1vq1A-1r5lA:
26.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s4e GALACTOKINASE

(Pyrococcus
furiosus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 ILE A  15
GLY A 299
ALA A 313
ILE A 312
GLU A 250
 None
 1.12A 1vq1A-1s4eA:
undetectable		 1vq1A-1s4eA:
24.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sg9 HEMK PROTEIN

(Thermotoga
maritima) 		PF05175
(MTS) 		12 PHE A 100
THR A 106
ILE A 128
GLY A 131
ALA A 134
ILE A 135
THR A 150
VAL A 152
GLU A 179
PHE A 180
PRO A 199
ALA A 218
 SAM  A 301 ( 3.4A)
SAM  A 301 (-3.4A)
None
SAM  A 301 ( 3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.3A)
None
SAM  A 301 (-3.5A)
SAM  A 301 ( 4.6A)
SAM  A 301 (-3.3A)
 0.22A 1vq1A-1sg9A:
39.6		 1vq1A-1sg9A:
95.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w0m TRIOSEPHOSPHATE
ISOMERASE

(Thermoproteus
tenax) 		PF00121
(TIM)
PF05690
(ThiG) 		5 GLY A 179
ALA A 139
ILE A 177
GLU A 217
ALA A 202
 None
None
None
None
PO4  A1226 (-3.6A)
 0.95A 1vq1A-1w0mA:
undetectable		 1vq1A-1w0mA:
24.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y5e MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
B

(Bacillus cereus) 		PF00994
(MoCF_biosynth) 		5 PHE A 109
THR A  82
GLY A 106
ILE A  91
ALA A 150
 None
 1.24A 1vq1A-1y5eA:
2.3		 1vq1A-1y5eA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3t PROTEIN
METHYLTRANSFERASE
HEMK

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		6 THR A  95
GLY A 119
ALA A 122
ILE A 123
PRO A 185
ALA A 206
 SAH  A 300 ( 4.3A)
SAH  A 300 (-3.5A)
SAH  A 300 (-3.4A)
None
SAH  A 300 ( 3.9A)
SAH  A 300 (-3.4A)
 0.48A 1vq1A-2b3tA:
30.1		 1vq1A-2b3tA:
28.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bmb FOLIC ACID SYNTHESIS
PROTEIN FOL1

(Saccharomyces
cerevisiae) 		PF00809
(Pterin_bind)
PF01288
(HPPK) 		5 THR A 597
ILE A 679
GLY A 757
ILE A 657
VAL A 800
 PMM  A1865 (-3.9A)
PMM  A1865 ( 4.7A)
PMM  A1865 ( 4.8A)
PMM  A1865 (-4.8A)
None
 1.45A 1vq1A-2bmbA:
undetectable		 1vq1A-2bmbA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cjw GTP-BINDING PROTEIN
GEM

(Homo sapiens) 		PF00071
(Ras) 		5 PHE A 232
THR A 220
GLY A 234
ILE A 218
VAL A 239
 None
 1.16A 1vq1A-2cjwA:
undetectable		 1vq1A-2cjwA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cxe RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Pyrococcus
horikoshii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLY A 349
ALA A 371
ILE A 369
THR A 312
GLU A 325
 None
 1.20A 1vq1A-2cxeA:
undetectable		 1vq1A-2cxeA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fwm 2,3-DIHYDRO-2,3-DIHY
DROXYBENZOATE
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 THR X  11
GLY X 105
ALA X 107
THR X  99
GLU X  94
 None
 1.25A 1vq1A-2fwmX:
5.6		 1vq1A-2fwmX:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fwm 2,3-DIHYDRO-2,3-DIHY
DROXYBENZOATE
DEHYDROGENASE

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 THR X  11
ILE X  82
ALA X 107
THR X  99
GLU X  94
 None
 1.23A 1vq1A-2fwmX:
5.6		 1vq1A-2fwmX:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g8l 287AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF01937
(DUF89) 		5 PHE A 227
GLY A 212
ILE A 215
GLU A 195
ALA A 182
 None
 1.32A 1vq1A-2g8lA:
5.5		 1vq1A-2g8lA:
26.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h00 METHYLTRANSFERASE 10
DOMAIN CONTAINING
PROTEIN

(Homo sapiens) 		PF05971
(Methyltransf_10) 		5 ILE A  72
GLY A  75
THR A  95
VAL A  97
PRO A 149
 None
SAH  A 300 (-3.6A)
SAH  A 300 (-4.3A)
SAH  A 300 (-4.2A)
SAH  A 300 (-4.0A)
 0.48A 1vq1A-2h00A:
17.7		 1vq1A-2h00A:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hjr MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A  88
ALA A 247
ILE A  29
THR A 131
PHE A 141
 None
None
None
APR  A3001 (-2.5A)
None
 1.32A 1vq1A-2hjrA:
3.8		 1vq1A-2hjrA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ht6 GTP-BINDING PROTEIN
GEM

(Homo sapiens) 		PF00071
(Ras) 		5 PHE A 232
THR A 220
GLY A 234
ILE A 218
VAL A 239
 None
 1.26A 1vq1A-2ht6A:
undetectable		 1vq1A-2ht6A:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ogj DIHYDROOROTASE

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 THR A 326
ILE A 263
VAL A 301
PHE A 270
ALA A 305
 None
 1.31A 1vq1A-2ogjA:
undetectable		 1vq1A-2ogjA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uvk YJHT

(Escherichia
coli) 		PF01344
(Kelch_1) 		5 ILE A 206
GLY A 245
ALA A 261
VAL A 113
ALA A 192
 None
 1.22A 1vq1A-2uvkA:
undetectable		 1vq1A-2uvkA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w8z 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Geobacillus
stearothermophilus) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 ILE A 280
GLY A 421
ALA A 423
GLU A 189
ALA A 286
 None
None
None
6PG  A1470 (-3.7A)
None
 1.33A 1vq1A-2w8zA:
6.9		 1vq1A-2w8zA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Prochlorococcus
marinus) 		PF00148
(Oxidored_nitro)
PF08369
(PCP_red) 		5 ILE D 188
GLY D 173
ALA D 203
ILE D 202
VAL D 248
 None
 1.18A 1vq1A-2ynmD:
2.6		 1vq1A-2ynmD:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a5f DIHYDRODIPICOLINATE
SYNTHASE

(Clostridium
botulinum) 		PF00701
(DHDPS) 		5 ILE A  61
GLY A  47
ALA A  10
ILE A  41
GLU A  54
 None
None
KPI  A 162 ( 3.4A)
None
None
 1.47A 1vq1A-3a5fA:
undetectable		 1vq1A-3a5fA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a5f DIHYDRODIPICOLINATE
SYNTHASE

(Clostridium
botulinum) 		PF00701
(DHDPS) 		5 ILE A  61
GLY A  47
ALA A  10
ILE A  41
GLU A  59
 None
None
KPI  A 162 ( 3.4A)
None
None
 1.43A 1vq1A-3a5fA:
undetectable		 1vq1A-3a5fA:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bfn KINESIN-LIKE PROTEIN
KIF22

(Homo sapiens) 		PF00225
(Kinesin) 		5 THR A 136
GLY A 127
ALA A 125
ILE A 342
ALA A 346
 None
 1.13A 1vq1A-3bfnA:
undetectable		 1vq1A-3bfnA:
23.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ct4 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
DIHYDROXYACETONE-BIN
DING SUBUNIT DHAK

(Lactococcus
lactis) 		PF02733
(Dak1) 		5 GLY A 190
ALA A 139
ILE A 138
VAL A 260
ALA A 153
 None
 1.42A 1vq1A-3ct4A:
undetectable		 1vq1A-3ct4A:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		5 PHE A  87
ILE A 354
GLY A  56
ILE A 349
THR A 366
 None
 1.02A 1vq1A-3d6nA:
undetectable		 1vq1A-3d6nA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		5 ILE A  65
GLY A  10
ILE A 182
GLU A  38
PHE A  69
 None
 1.44A 1vq1A-3eeiA:
undetectable		 1vq1A-3eeiA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3evz METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF05175
(MTS) 		5 ILE A  87
GLY A  90
THR A 110
VAL A 112
PRO A 157
 None
 0.56A 1vq1A-3evzA:
18.3		 1vq1A-3evzA:
26.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gei TRNA MODIFICATION
GTPASE MNME

(Chlorobaculum
tepidum) 		PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical) 		5 THR A  89
ILE A  29
GLY A 472
THR A  20
ALA A  16
 None
 1.04A 1vq1A-3geiA:
undetectable		 1vq1A-3geiA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 220
ALA A 287
ILE A 223
VAL A 247
ALA A 252
 None
 1.14A 1vq1A-3ip1A:
6.1		 1vq1A-3ip1A:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jab IGG1-KAPPA 2E8 HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H 104
VAL H   2
GLU H   1
PRO H 101
ALA H  94
 None
 1.39A 1vq1A-3jabH:
undetectable		 1vq1A-3jabH:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 PHE E 114
GLY E 115
THR E 120
PHE E 126
ALA E  78
 None
 1.22A 1vq1A-3kfuE:
undetectable		 1vq1A-3kfuE:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kkl PROBABLE CHAPERONE
PROTEIN HSP33

(Saccharomyces
cerevisiae) 		no annotation 5 THR A 227
ILE A  31
ALA A 136
ILE A 137
ALA A   6
 None
 1.33A 1vq1A-3kklA:
2.5		 1vq1A-3kklA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mkb HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA

(Isurus
oxyrinchus;
Isurus
oxyrinchus) 		PF00042
(Globin)
PF00042
(Globin) 		5 PHE A  33
ILE B 121
ALA A  28
GLU B   7
PRO A  37
 None
 1.16A 1vq1A-3mkbA:
undetectable		 1vq1A-3mkbA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		5 GLY A 201
ALA A  97
ILE A  21
GLU A 127
ALA A 206
 None
 1.44A 1vq1A-3ozbA:
undetectable		 1vq1A-3ozbA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p54 ENVELOPE
GLYCOPROTEIN

(Japanese
encephalitis
virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		5 ILE A  33
ALA A 164
ILE A 141
THR A  32
GLU A  13
 None
 1.44A 1vq1A-3p54A:
undetectable		 1vq1A-3p54A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s46 ALANINE RACEMASE

(Streptococcus
pneumoniae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A 130
GLY A 135
ILE A 137
PHE A 184
ALA A 167
 KCX  A 129 ( 3.8A)
None
KCX  A 129 ( 4.5A)
None
None
 1.39A 1vq1A-3s46A:
undetectable		 1vq1A-3s46A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um1 BRO1
DOMAIN-CONTAINING
PROTEIN BROX

(Homo sapiens) 		PF03097
(BRO1) 		5 ILE A 271
GLY A 258
VAL A 316
PHE A 332
ALA A 277
 None
 1.32A 1vq1A-3um1A:
undetectable		 1vq1A-3um1A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um9 HALOACID
DEHALOGENASE, TYPE
II

(Polaromonas sp.
JS666) 		PF13419
(HAD_2) 		5 PHE A 173
THR A  14
ILE A 194
VAL A 206
ALA A 184
 None
 1.30A 1vq1A-3um9A:
2.7		 1vq1A-3um9A:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vot L-AMINO ACID LIGASE,
BL00235

(Bacillus
licheniformis) 		PF13535
(ATP-grasp_4) 		5 GLY A 264
ALA A 262
ILE A 119
PHE A 104
ALA A 289
 None
 1.20A 1vq1A-3votA:
undetectable		 1vq1A-3votA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 THR A 595
ILE A 278
ALA A 627
GLU A 152
PRO A 285
 None
 1.37A 1vq1A-3w9hA:
undetectable		 1vq1A-3w9hA:
15.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wlx LOW SPECIFICITY
L-THREONINE ALDOLASE

(Escherichia
coli) 		no annotation 5 ILE B 193
GLY B 209
ALA B  51
VAL B 165
ALA B  65
 None
 1.40A 1vq1A-3wlxB:
4.4		 1vq1A-3wlxB:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		5 PHE B 210
ILE B 109
ALA B 388
THR B 105
GLU B 196
 None
 1.35A 1vq1A-3ze7B:
undetectable		 1vq1A-3ze7B:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0a PROTEIN WNT-8

(Xenopus laevis) 		PF00110
(wnt) 		5 THR B 176
GLY B 169
ILE B 205
GLU B  85
PHE B  59
 None
 1.47A 1vq1A-4f0aB:
undetectable		 1vq1A-4f0aB:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f32 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Burkholderia
vietnamiensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 197
ALA A 114
VAL A 249
GLU A 251
ALA A  89
 None
 1.36A 1vq1A-4f32A:
undetectable		 1vq1A-4f32A:
24.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f9o HEXOKINASE-1

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 PHE A 515
ALA A 613
THR A 905
VAL A 907
GLU A 524
 None
 1.30A 1vq1A-4f9oA:
undetectable		 1vq1A-4f9oA:
15.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 203
ALA A 183
ILE A 184
VAL A  18
ALA A  94
 None
 1.15A 1vq1A-4jgaA:
undetectable		 1vq1A-4jgaA:
24.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kzp OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF00106
(adh_short) 		5 ILE A  81
ALA A  55
ILE A  54
THR A  28
VAL A  26
 None
 1.38A 1vq1A-4kzpA:
3.1		 1vq1A-4kzpA:
24.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mla CYTOKININ OXIDASE 2

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 ILE A 223
ILE A 502
VAL A 199
GLU A 191
ALA A  77
 FAD  A 601 (-4.6A)
None
None
None
None
 1.40A 1vq1A-4mlaA:
undetectable		 1vq1A-4mlaA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6m AF2299, A
CDP-ALCOHOL
PHOSPHOTRANSFERASE

(Archaeoglobus
fulgidus) 		PF01066
(CDP-OH_P_transf) 		5 ILE A 246
GLY A 265
ALA A 325
ILE A 324
PRO A 317
 None
None
MPG  A 407 ( 3.9A)
None
None
 1.14A 1vq1A-4o6mA:
undetectable		 1vq1A-4o6mA:
25.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ozq CHIMERA OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND KINESIN FAMILY
MEMBER 14 PROTEIN

(Escherichia
coli;
Mus musculus) 		PF00225
(Kinesin)
PF13416
(SBP_bac_8) 		5 THR A 491
GLY A 482
ALA A 480
ILE A 710
PHE A 436
 None
 1.50A 1vq1A-4ozqA:
undetectable		 1vq1A-4ozqA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pfz 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
DELTA-ISOMERASE

(Mycolicibacterium
smegmatis) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		5 GLY A 189
ALA A  74
THR A 269
VAL A 264
ALA A 136
 None
 1.23A 1vq1A-4pfzA:
undetectable		 1vq1A-4pfzA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pka PATATIN-17

(Solanum
cardiophyllum) 		PF01734
(Patatin) 		5 THR X 187
ILE X  73
ILE X 152
THR X 148
PHE X  70
 MIS  X  77 ( 3.0A)
None
None
None
None
 1.43A 1vq1A-4pkaX:
2.0		 1vq1A-4pkaX:
24.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twb RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran)
PF13793
(Pribosyltran_N) 		5 ALA A 163
ILE A 214
GLU A 154
PRO A 159
ALA A 181
 None
 1.32A 1vq1A-4twbA:
3.3		 1vq1A-4twbA:
24.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wwh ABC TRANSPORTER

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 THR A 132
ILE A 123
ILE A 129
VAL A  41
PRO A 121
 None
 1.12A 1vq1A-4wwhA:
3.2		 1vq1A-4wwhA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a2o NITRATE TRANSPORTER
1.1

(Arabidopsis
thaliana) 		PF00854
(PTR2) 		5 GLY A 430
ILE A 479
VAL A 548
PHE A 513
ALA A 553
 None
 1.24A 1vq1A-5a2oA:
undetectable		 1vq1A-5a2oA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d19 TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N)
PF13977
(TetR_C_6) 		5 PHE A  74
ALA A 138
ILE A 137
VAL A 128
ALA A  70
 None
 1.33A 1vq1A-5d19A:
undetectable		 1vq1A-5d19A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dds CRMG

(Actinoalloteichus
sp. WH1-2216-6) 		PF00202
(Aminotran_3) 		5 GLY A 320
ALA A 345
ILE A 346
THR A 341
VAL A 314
 None
 1.38A 1vq1A-5ddsA:
2.5		 1vq1A-5ddsA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h83 HETEROYOHIMBINE
SYNTHASE HYS

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A  26
THR A  50
ALA A 333
ILE A 337
ALA A  19
 None
 1.22A 1vq1A-5h83A:
4.7		 1vq1A-5h83A:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kom PUTATIVE FLUORIDE
ION TRANSPORTER CRCB

(Escherichia
coli) 		PF02537
(CRCB) 		5 GLY A  75
ALA A  44
ILE A  47
VAL A   8
PHE A  64
 NA  A 201 (-4.4A)
F  A 203 ( 4.3A)
None
None
None
 1.35A 1vq1A-5komA:
undetectable		 1vq1A-5komA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uan RETINOIC ACID
RECEPTOR BETA

(Homo sapiens) 		no annotation 5 ILE B 370
GLY B 320
ALA B 324
ILE B 325
GLU B 313
 None
 0.78A 1vq1A-5uanB:
undetectable		 1vq1A-5uanB:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uy7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Burkholderia
ambifaria) 		PF00905
(Transpeptidase) 		5 THR A 559
GLY A 519
ALA A 521
ILE A 528
PHE A 427
 None
 1.46A 1vq1A-5uy7A:
undetectable		 1vq1A-5uy7A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uy7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Burkholderia
ambifaria) 		PF00905
(Transpeptidase) 		5 THR A 559
GLY A 519
ALA A 521
ILE A 528
THR A 434
 None
 1.19A 1vq1A-5uy7A:
undetectable		 1vq1A-5uy7A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zya SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 5 ALA C 999
ILE C1000
VAL C 989
GLU C 984
ALA C 951
 None
 1.22A 1vq1A-5zyaC:
undetectable		 1vq1A-5zyaC:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zya SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 5 GLY C 995
ALA C 999
ILE C1000
VAL C 989
GLU C 984
 None
 1.33A 1vq1A-5zyaC:
undetectable		 1vq1A-5zyaC:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bx4 FLUORIDE ION
TRANSPORTER CRCB

(Escherichia
coli) 		no annotation 5 GLY A  75
ALA A  44
ILE A  47
VAL A   8
PHE A  64
 NA  A 204 (-4.4A)
F  A 201 ( 4.2A)
None
None
None
 1.31A 1vq1A-6bx4A:
undetectable		 1vq1A-6bx4A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d4j PROTEIN PATCHED
HOMOLOG 1

(Homo sapiens) 		no annotation 5 PHE A 573
ALA A 562
ILE A 565
GLU A 127
ALA A 498
 None
 1.49A 1vq1A-6d4jA:
2.3		 1vq1A-6d4jA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d6k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Acinetobacter
baumannii) 		no annotation 5 ILE A  96
GLY A 151
ALA A 153
ILE A 129
THR A 135
 None
 1.45A 1vq1A-6d6kA:
undetectable		 1vq1A-6d6kA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f45 -

(-) 		no annotation 5 ILE D 133
GLY D 151
ALA D 245
ILE D 244
GLU D  94
 None
 1.07A 1vq1A-6f45D:
undetectable		 1vq1A-6f45D:
undetectable